[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol

C19H29NO2 — CID 97143432

IUPAC[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
SMILESCOCCC[C@]1(CO)CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-22-15-7-12-19(17-21)11-6-14-20(16-19)13-5-10-18-8-3-2-4-9-18/h2-5,8-10,21H,6-7,11-17H2,1H3/b10-5+/t19-/m1/s1
InChIKeyPQXYDISDEZIBGV-CEQQRPIWSA-N
MW303.45 g/mol
LogP3.20
Rot. Bonds8

About [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol

[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol (PubChem CID 97143432) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
PubChem CID97143432
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
SMILESCOCCC[C@]1(CO)CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-22-15-7-12-19(17-21)11-6-14-20(16-19)13-5-10-18-8-3-2-4-9-18/h2-5,8-10,21H,6-7,11-17H2,1H3/b10-5+/t19-/m1/s1
InChIKeyPQXYDISDEZIBGV-CEQQRPIWSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylic acid
CID 97117701
[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97137890
[(3S)-3-ethyl-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97129799
[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 97113551
[(3R)-3-(3-methoxypropyl)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methanol
CID 97150707
[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97119620
[3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
CID 72917410
[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97124457
3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
CID 76986276
[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97115465
(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
CID 165422452
(6S)-2-(3-hydroxypropyl)-8-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97041617

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol (CID 97143432) is [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol is COCCC[C@]1(CO)CCCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
The InChIKey is PQXYDISDEZIBGV-CEQQRPIWSA-N. The full InChI is InChI=1S/C19H29NO2/c1-22-15-7-12-19(17-21)11-6-14-20(16-19)13-5-10-18-8-3-2-4-9-18/h2-5,8-10,21H,6-7,11-17H2,1H3/b10-5+/t19-/m1/s1.
What are the key properties of [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol?
[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol has a molecular weight of 303.45 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol is sourced from PubChem (CID 97143432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).